Detailed information for compound 76603

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.476 | Formula: C27H33Cl2N3O
  • H donors: 2 H acceptors: 1 LogP: 6.16 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cccc2
  • InChi: 1S/C27H33Cl2N3O/c28-24-10-8-20(18-25(24)29)9-11-27(33)30-14-4-1-5-15-32-16-12-21(13-17-32)23-19-31-26-7-3-2-6-22(23)26/h2-3,6-8,10,18-19,21,31H,1,4-5,9,11-17H2,(H,30,33)
  • InChiKey: FEJSQSVDLOCWGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0866 0.1086
Brugia malayi Cytochrome P450 family protein 0.0025 0.0027 0.0027
Trichomonas vaginalis phosphofructokinase, putative 0.013 0.2413 0.3475
Mycobacterium ulcerans 6-phosphofructokinase 0.013 0.2413 0.3646
Onchocerca volvulus 0.0059 0.0801 0.0603
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0251 0.0514
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0251 0.0083
Mycobacterium tuberculosis Probable reductase 0.0217 0.4373 0.8837
Brugia malayi MH1 domain containing protein 0.0025 0.0027 0.0027
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.021 0.0364
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0251 0.0514
Schistosoma mansoni thyroid hormone receptor 0.0166 0.3227 0.4144
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0866 0.1086
Loa Loa (eye worm) hypothetical protein 0.0058 0.0776 0.0752
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0111 0.0302
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0897 0.1127
Schistosoma mansoni lamin 0.0059 0.0801 0.1002
Echinococcus multilocularis snurportin 1 0.031 0.6502 0.8384
Echinococcus granulosus importin subunit beta 1 0.0029 0.0111 0.0109
Loa Loa (eye worm) hypothetical protein 0.0028 0.0078 0.0051
Loa Loa (eye worm) hypothetical protein 0.0464 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0198 0.0613
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0866 0.1086
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0111 0.0302
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0222
Schistosoma mansoni hypothetical protein 0.031 0.6502 0.8384
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0897 0.3104
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0866 0.1086
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.4373 0.8837
Echinococcus multilocularis lamin dm0 0.0059 0.0801 0.1002
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0198 0.0613
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0174 0.0148
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0866 0.1086
Loa Loa (eye worm) glutathione reductase 0.0095 0.1608 0.1586
Brugia malayi RNA, U transporter 1 0.0083 0.1329 0.1329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0642 0.0797
Brugia malayi hypothetical protein 0.004 0.0362 0.0362
Echinococcus multilocularis peregrin 0.0033 0.021 0.0238
Leishmania major ATP-dependent phosphofructokinase 0.013 0.2413 0.851
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.037 0.0444
Schistosoma mansoni glutaminase 0.0313 0.6572 0.8475
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.4373 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0241 0.4922 1
Plasmodium falciparum thioredoxin reductase 0.0033 0.0198 0.0321
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.037 0.0344
Loa Loa (eye worm) runx1 0.0058 0.0774 0.075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0198 0.0321
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.013 0.2413 0.851
Brugia malayi MH2 domain containing protein 0.0372 0.7905 0.7905
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.021 0.0238
Trypanosoma cruzi transcription factor btf3, putative 0.0149 0.2831 1
Brugia malayi glutaminase DH11.1 0.0313 0.6572 0.6572
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Schistosoma mansoni hypothetical protein 0.004 0.0362 0.0434
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0251 0.0514
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0251 0.0514
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0251 0.0514
Entamoeba histolytica phosphofructokinase, putative 0.013 0.2413 0.838
Loa Loa (eye worm) hypothetical protein 0.0464 1 1
Echinococcus multilocularis musashi 0.0059 0.0801 0.1002
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0251 1
Toxoplasma gondii thioredoxin reductase 0.0095 0.1608 0.5505
Brugia malayi jmjC domain containing protein 0.0109 0.1938 0.1938
Echinococcus multilocularis thyroid hormone receptor alpha 0.0166 0.3227 0.4144
Echinococcus granulosus intermediate filament protein 0.0059 0.0801 0.1002
Entamoeba histolytica hypothetical protein 0.0149 0.2831 1
Plasmodium vivax hypothetical protein, conserved 0.0033 0.021 0.0364
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0866 0.0866
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0198 0.0198
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.4373 0.8837
Brugia malayi RNA binding protein 0.0062 0.0866 0.0866
Echinococcus granulosus lamin dm0 0.0059 0.0801 0.1002
Echinococcus granulosus lamin 0.0059 0.0801 0.1002
Plasmodium vivax glutathione reductase, putative 0.0095 0.1608 0.5505
Trichomonas vaginalis phosphofructokinase, putative 0.013 0.2413 0.3475
Plasmodium falciparum thioredoxin reductase 0.0095 0.1608 0.5505
Plasmodium falciparum basic transcription factor 3b, putative 0.0149 0.2831 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.4373 0.8837
Loa Loa (eye worm) intermediate filament protein 0.0059 0.0801 0.0777
Brugia malayi MH2 domain containing protein 0.0025 0.0027 0.0027
Schistosoma mansoni jumonji domain containing protein 0.0087 0.1427 0.1813
Trichomonas vaginalis phosphofructokinase, putative 0.013 0.2413 0.3475
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.2831 0.413
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.1608 0.5641
Brugia malayi MH2 domain containing protein 0.0025 0.0027 0.0027
Loa Loa (eye worm) transcription factor SMAD2 0.0372 0.7905 0.7899
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0198 0.0321
Plasmodium falciparum glutathione reductase 0.0095 0.1608 0.5505
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.021 0.0238
Brugia malayi Thioredoxin reductase 0.0095 0.1608 0.1608
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0198 0.0321
Loa Loa (eye worm) ICD-1 protein 0.0149 0.2831 0.2812
Schistosoma mansoni lozenge 0.0058 0.0774 0.0968
Entamoeba histolytica transcription factor BTF3, putative 0.0149 0.2831 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0111 0.0109
Loa Loa (eye worm) hypothetical protein 0.0028 0.0078 0.0051
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0642 0.0642
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.1608 0.2048
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0897 0.1127
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0642 0.0797
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.013 0.2413 0.4688
Loa Loa (eye worm) cytochrome P450 family protein 0.0035 0.0251 0.0225
Schistosoma mansoni 6-phosphofructokinase 0.013 0.2413 0.309
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0251 1
Entamoeba histolytica hypothetical protein 0.004 0.0362 0.043
Brugia malayi Smad1 0.0025 0.0027 0.0027
Mycobacterium ulcerans glutaminase 0.0313 0.6572 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0897 0.133
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0251 0.0237
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.0801 0.0801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0642 0.0797
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0174 0.0174
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.1608 0.1586
Entamoeba histolytica hypothetical protein 0.004 0.0362 0.043
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Echinococcus multilocularis geminin 0.0365 0.775 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0241 0.4922 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.013 0.2413 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0642 0.0797
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.2831 0.413
Entamoeba histolytica hypothetical protein 0.004 0.0362 0.043
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0198 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0362 0.0434
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.1608 0.5505
Loa Loa (eye worm) hypothetical protein 0.0029 0.0102 0.0076
Brugia malayi Cytochrome P450 family protein 0.0035 0.0251 0.0251
Echinococcus granulosus geminin 0.0365 0.775 1
Echinococcus multilocularis 6 phosphofructokinase 0.013 0.2413 0.309
Loa Loa (eye worm) 6-phosphofructokinase 0.013 0.2413 0.2393
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0198 0.0613
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0217 0.4373 0.7811
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.037 0.0444
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.2831 0.413
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0866 0.1086
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.021 0.0238
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.2755 0.3533
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0642 0.0797
Loa Loa (eye worm) RNA binding protein 0.0062 0.0866 0.0841
Echinococcus granulosus peregrin 0.0033 0.021 0.0238
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Trichomonas vaginalis phosphofructokinase, putative 0.013 0.2413 0.3475
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0102 0.0098
Brugia malayi intermediate filament protein 0.0059 0.0801 0.0801
Echinococcus multilocularis lamin 0.0059 0.0801 0.1002
Loa Loa (eye worm) hypothetical protein 0.0033 0.021 0.0184
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0897 0.1127
Leishmania major trypanothione reductase 0.0095 0.1608 0.5641
Brugia malayi 6-phosphofructokinase 0.013 0.2413 0.2413
Brugia malayi TAR-binding protein 0.0062 0.0866 0.0866
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0198 0.0321
Trypanosoma brucei transcription factor BTF3, putative 0.0149 0.2831 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0866 0.0841
Brugia malayi PHD-finger family protein 0.0033 0.021 0.021
Brugia malayi beta-NAC-like protein 0.0149 0.2831 0.2831
Loa Loa (eye worm) hypothetical protein 0.0059 0.0801 0.0777
Schistosoma mansoni hypothetical protein 0.0033 0.021 0.0238
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0251 0.0514
Toxoplasma gondii NAC domain-containing protein 0.0149 0.2831 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0362 0.0434
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0362 0.0434
Brugia malayi Cytochrome P450 family protein 0.0025 0.0027 0.0027
Schistosoma mansoni thyroid hormone receptor 0.0166 0.3227 0.4144
Plasmodium falciparum phd finger protein, putative 0.0033 0.021 0.0364
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0222
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0897 0.2889
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.4373 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0198 0.0263
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.1608 0.2048
Loa Loa (eye worm) hypothetical protein 0.0029 0.0111 0.0085
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.2755 0.3533
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0642 0.0797
Entamoeba histolytica hypothetical protein 0.004 0.0362 0.043
Loa Loa (eye worm) glutaminase 2 0.0313 0.6572 0.6563
Plasmodium vivax basic transcription factor 3b, putative 0.0149 0.2831 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0102 0.0098
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.037 0.0444
Brugia malayi phosphofructokinase 0.013 0.2413 0.2413
Loa Loa (eye worm) 6-phosphofructokinase 0.013 0.2413 0.2393
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0897 0.133
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0613
Echinococcus multilocularis transcription factor btf3 0.0149 0.2831 0.3631
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0198 0.0263
Brugia malayi jmjC domain containing protein 0.004 0.037 0.037
Loa Loa (eye worm) glutaminase 0.0313 0.6572 0.6563
Loa Loa (eye worm) MH2 domain-containing protein 0.0372 0.7905 0.7899
Echinococcus granulosus snurportin 1 0.031 0.6502 0.8384
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0198 0.0613
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0642 0.0617
Onchocerca volvulus 0.0059 0.0801 0.0603
Loa Loa (eye worm) phosphofructokinase 0.013 0.2413 0.2393
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0198 0.0613
Schistosoma mansoni hypothetical protein 0.0365 0.775 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.1608 0.2985
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.037 0.0444
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0508 0.0623
Brugia malayi Bromodomain containing protein 0.0033 0.021 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0642 0.0797
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0251 0.0083
Schistosoma mansoni importin beta-1 0.0029 0.0111 0.0109
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0198 0.0321
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.013 0.2413 0.851
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.1019 0.0995
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0222
Entamoeba histolytica phosphofructokinase, putative 0.013 0.2413 0.838
Echinococcus granulosus transcription factor btf3 0.0149 0.2831 0.3631
Leishmania major basic transcription factor 3a, putative 0.0149 0.2831 1
Schistosoma mansoni hypothetical protein 0.0365 0.775 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.0801 0.0777
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.1938 0.2475
Schistosoma mansoni hypothetical protein 0.0145 0.2755 0.3533
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0251 0.0514
Echinococcus granulosus 6 phosphofructokinase 0.013 0.2413 0.309
Echinococcus multilocularis Protein lozenge 0.0058 0.0774 0.0968
Plasmodium falciparum glutathione reductase 0.0033 0.0198 0.0321
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0897 0.1127
Schistosoma mansoni lamin 0.0059 0.0801 0.1002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0897 0.133
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0198 0.0613
Trypanosoma brucei trypanothione reductase 0.0095 0.1608 0.5641
Echinococcus granulosus tar DNA binding protein 0.0062 0.0866 0.1086
Brugia malayi Importin beta-1 subunit 0.0029 0.0111 0.0111
Schistosoma mansoni 6-phosphofructokinase 0.013 0.2413 0.309
Trypanosoma cruzi transcription factor btf3, putative 0.0149 0.2831 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0753 0.0728
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0198 0.0613
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0251 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.1938 0.2475
Giardia lamblia PHD finger protein 15 0.0033 0.021 0.2237
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.6502 0.6493
Brugia malayi glutathione reductase 0.0095 0.1608 0.1608
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0198 0.0613
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.021 0.0364
Entamoeba histolytica phosphofructokinase, putative 0.013 0.2413 0.838
Onchocerca volvulus 0.0464 1 1
Schistosoma mansoni intermediate filament proteins 0.0059 0.0801 0.1002
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0198 0.5
Trichomonas vaginalis glutaminase, putative 0.0313 0.6572 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0866 0.0841
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0241 0.4922 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0897 0.1479
Schistosoma mansoni transcription factor btf3 0.0149 0.2831 0.3631
Brugia malayi 6-phosphofructokinase 0.013 0.2413 0.2413
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0198 0.0321
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0241 0.4922 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0198 0.0613
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.021 0.0184
Brugia malayi MH1 domain containing protein 0.0025 0.0027 0.0027
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0508 0.0623

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5900 nM Antagonist activity against C-C chemokine receptor type 2 ChEMBL. 10969972
Ki (functional) = 5900 nM Antagonist activity at human CCR2 receptor ChEMBL. 18226895
Ki (functional) = 5900 nM Antagonist activity against C-C chemokine receptor type 2 ChEMBL. 10969972
Ki (functional) = 5900 nM Antagonist activity at human CCR2 receptor ChEMBL. 18226895
Log Ki (functional) = 5.22 nM Antagonist activity at human CCR2 receptor ChEMBL. 18226895
Log Ki (functional) = 5.22 nM Antagonist activity at human CCR2 receptor ChEMBL. 18226895

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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